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Details

Stereochemistry ACHIRAL
Molecular Formula C9H14N4O2S2
Molecular Weight 274.363
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-(((2-((DIAMINOMETHYLIDENE)AMINO)THIAZOL-4-YL)METHYL)SULFANYL)PROPANOATE

SMILES

COC(=O)CCSCC1=CSC(N=C(N)N)=N1

InChI

InChIKey=LNBNICMKLBBRMB-UHFFFAOYSA-N
InChI=1S/C9H14N4O2S2/c1-15-7(14)2-3-16-4-6-5-17-9(12-6)13-8(10)11/h5H,2-4H2,1H3,(H4,10,11,12,13)

HIDE SMILES / InChI

Molecular Formula C9H14N4O2S2
Molecular Weight 274.363
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:33:11 GMT 2025
Edited
by admin
on Mon Mar 31 21:33:11 GMT 2025
Record UNII
CE161F8RV7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FAMOTIDINE IMPURITY J [EP IMPURITY]
Preferred Name English
METHYL 3-(((2-((DIAMINOMETHYLIDENE)AMINO)THIAZOL-4-YL)METHYL)SULFANYL)PROPANOATE
Systematic Name English
PROPANOIC ACID, 3-(((2-((AMINOIMINOMETHYL)AMINO)-4-THIAZOLYL)METHYL)THIO)-, METHYL ESTER
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID10227645
Created by admin on Mon Mar 31 21:33:11 GMT 2025 , Edited by admin on Mon Mar 31 21:33:11 GMT 2025
PRIMARY
FDA UNII
CE161F8RV7
Created by admin on Mon Mar 31 21:33:11 GMT 2025 , Edited by admin on Mon Mar 31 21:33:11 GMT 2025
PRIMARY
CAS
76824-14-1
Created by admin on Mon Mar 31 21:33:11 GMT 2025 , Edited by admin on Mon Mar 31 21:33:11 GMT 2025
PRIMARY
PUBCHEM
12790764
Created by admin on Mon Mar 31 21:33:11 GMT 2025 , Edited by admin on Mon Mar 31 21:33:11 GMT 2025
PRIMARY